Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 20/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.62 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.60 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.60 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.60 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.60 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.60 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.60 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5935280 | 0.96 | SIGMAR1 (0.80) | SIGMAR1CYP1A2TP53CYP2D6TSHR | |
| SCHEMBL5935249 | 0.95 | SIGMAR1 (0.79) | SIGMAR1CYP1A2TP53CYP2D6TSHR | |
| SCHEMBL7442708 | 0.85 | SIGMAR1 (1.00) | SIGMAR1CYP1A2TP53CYP2D6TSHR | |
| SCHEMBL466865 | 0.77 | SIGMAR1 (1.00) | SIGMAR1CYP1A2TP53CYP2D6TSHR | |
| SCHEMBL678162 | 0.77 | SIGMAR1 (1.00) | SIGMAR1CYP1A2TP53CYP2D6TSHR | |
| Bromide SCHEMBL467371 | 0.76 | SIGMAR1 (0.97) | SIGMAR1CYP1A2TP53CYP2D6TSHR | |
| SCHEMBL12648455 | 0.76 | SIGMAR1 (1.00) | SIGMAR1CYP1A2TP53CYP2D6TSHR | |
| SCHEMBL8334387 | 0.74 | SIGMAR1 (0.56) | SIGMAR1CYP1A2TP53CYP2D6TSHR | |
| SCHEMBL7429044 | 0.73 | SIGMAR1 (0.58) | SIGMAR1 | |
| SCHEMBL14376817 | 0.72 | SIGMAR1 (0.44) | SIGMAR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5571832-A | Nitrogen-containing cyclohetero alkylamino aryl derivatives for CNS disorders | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-11-05 | — | — | US | disclosed |